Model name? Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? [ { "prototype-label": { "source-value": "A_cF136_227_aeg" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 14.7362, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.76473335, 0.31636148, 0.12789779 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_093344408860_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 4.274249804680099 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:46:46 -64.210547 9.237194 LBFGSLineSearch: 1 16:46:48 -84.924888 1.658645 LBFGSLineSearch: 2 16:46:51 -86.786384 2.043813 LBFGSLineSearch: 3 16:46:53 -88.742326 4.152294 LBFGSLineSearch: 4 16:46:55 -93.555448 4.140504 LBFGSLineSearch: 5 16:46:57 -94.943366 1.330548 LBFGSLineSearch: 6 16:46:59 -95.373412 0.583153 LBFGSLineSearch: 7 16:47:01 -95.607776 0.743197 LBFGSLineSearch: 8 16:47:02 -95.667671 0.339133 LBFGSLineSearch: 9 16:47:03 -95.690474 0.372014 LBFGSLineSearch: 10 16:47:04 -95.745029 0.696723 LBFGSLineSearch: 11 16:47:10 -97.618357 1.431742 LBFGSLineSearch: 12 16:47:13 -98.117128 0.281830 LBFGSLineSearch: 13 16:47:14 -98.148075 0.509564 LBFGSLineSearch: 14 16:47:15 -98.171306 0.182904 LBFGSLineSearch: 15 16:47:16 -98.175678 0.044466 LBFGSLineSearch: 16 16:47:18 -98.176177 0.027866 LBFGSLineSearch: 17 16:47:19 -98.176463 0.004225 LBFGSLineSearch: 18 16:47:20 -98.176497 0.000802 LBFGSLineSearch: 19 16:47:22 -98.176498 0.000006